CHEBI:193568 - iritremulanol A

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ChEBI Name iritremulanol A ChEBI ID CHEBI:193568 Definition A carbobicyclic compound that is 1,2,3,3a,4,5,6,7-octahydroazulene substituted by methyl groups at positions 2, 2, 4 and 8, and by a hydroxymethyl group at position 8 (the 5R,8R,8aR-stereoisomer). It is a sesquiterpenoid synthesised by heterologous expression of a sesquiterpene synthase from the basidiomycete Irpex lacteus. Stars This entity has been manually annotated by the ChEBI Team. Submitter Tereza Calounova Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C15H26O Net Charge 0 Average Mass 222.372 Monoisotopic Mass 222.19837 InChI InChI=1S/C15H26O/c1-10-5-6-12(9-16)11(2)14-8-15(3,4)7-13(10)14/h10,12-13,16H,5-9H2,1-4H3/t10-,12+,13-/m1/s1 InChIKey KHEHCZVHTQVPHH-KGYLQXTDSA-N SMILES [H][C@]12CC(C)(C)CC1=C(C)[C@H](CO)CC[C@H]2C ChEBI Ontology Outgoing iritremulanol A (CHEBI:193568) is a carbobicyclic compound (CHEBI:36785) iritremulanol A (CHEBI:193568) is a sesquiterpenoid (CHEBI:26658) IUPAC Name [(5R,8R,8aR)-2,2,4,8-tetramethyl-1,2,3,5,6,7,8,8a-octahydroazulen-5-yl]methanol Citation Type Source 35904977 PubMed citation SUBMITTER Last Modified 09 January 2023